iridium(3+);tris(2-(4-methylphenyl)pyridine)

C36H33IrN3+3 — CID 22283734

IUPACiridium(3+);tris(2-(4-methylphenyl)pyridine)
SMILESCc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.[Ir+3]
InChIInChI=1S/3C12H11N.Ir/c3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h3*2-9H,1H3;/q;;;+3
InChIKeyYERGTYJYQCLVDM-UHFFFAOYSA-N
MW699.90 g/mol
LogP9.17
Rot. Bonds3

About iridium(3+);tris(2-(4-methylphenyl)pyridine)

iridium(3+);tris(2-(4-methylphenyl)pyridine) (PubChem CID 22283734) has the molecular formula C36H33IrN3+3 and a molecular weight of 699.90 g/mol. Its IUPAC name is iridium(3+);tris(2-(4-methylphenyl)pyridine).

Molecular Properties

Compound Nameiridium(3+);tris(2-(4-methylphenyl)pyridine)
PubChem CID22283734
Molecular FormulaC36H33IrN3+3
Molecular Weight699.90 g/mol
Exact Mass700.23
IUPAC Nameiridium(3+);tris(2-(4-methylphenyl)pyridine)
SMILESCc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.[Ir+3]
InChIInChI=1S/3C12H11N.Ir/c3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h3*2-9H,1H3;/q;;;+3
InChIKeyYERGTYJYQCLVDM-UHFFFAOYSA-N
XLogP9.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(2-(4-methylphenyl)pyridine)?
The IUPAC name of iridium(3+);tris(2-(4-methylphenyl)pyridine) (CID 22283734) is iridium(3+);tris(2-(4-methylphenyl)pyridine).
What is the SMILES notation for iridium(3+);tris(2-(4-methylphenyl)pyridine)?
The canonical SMILES for iridium(3+);tris(2-(4-methylphenyl)pyridine) is Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.Cc1ccc(-c2ccccn2)cc1.[Ir+3].
What is the InChIKey of iridium(3+);tris(2-(4-methylphenyl)pyridine)?
The InChIKey is YERGTYJYQCLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H11N.Ir/c3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;/h3*2-9H,1H3;/q;;;+3.
What are the key properties of iridium(3+);tris(2-(4-methylphenyl)pyridine)?
iridium(3+);tris(2-(4-methylphenyl)pyridine) has a molecular weight of 699.90 g/mol, XLogP of 9.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(2-(4-methylphenyl)pyridine) is sourced from PubChem (CID 22283734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).